%chk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/octanol/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Tebupirimfos CONF469 octanol 0 1 S 1.3132861853 0.9145949964 2.0544220738 P 1.8788721888 0.0895975220 0.4220801972 O 3.1738770392 0.6293893331 -0.3134516668 O 0.7984097452 0.2130600616 -0.8021269742 O 2.1697958782 -1.4592513685 0.5762998491 N -2.6380241194 0.9613797036 -0.0097510531 N -2.4562338582 -1.3223035317 -0.5279878402 C -4.6433391757 -0.4009636298 0.0975170295 C -5.1183833622 -1.8329165930 -0.1312402623 C -5.4078472513 0.5420724290 -0.8386709548 C -4.9202262661 -0.0035784076 1.5526915020 C -3.1562632234 -0.2564810998 -0.1667448391 C 3.3491948418 2.0453157219 -0.6177296018 C -0.5392246447 0.0492772912 -0.5730168219 C -1.3432891165 1.1174914251 -0.2077110949 C -1.1535607837 -1.1755014510 -0.7285300338 C 4.3706281659 2.6156449748 0.3387720492 C 3.7618912884 2.1416379774 -2.0680436248 C 2.6893328765 -2.2855179286 -0.4939103452 C 2.2866514266 -3.7109235436 -0.2235837186 H -4.9604856118 -2.1588354237 -1.1600079741 H -6.1884050278 -1.8991306448 0.0749561681 H -4.6130586194 -2.5437482422 0.5233770087 H -5.1237405249 1.5831984892 -0.6840042054 H -5.2309214075 0.2970192887 -1.8880049952 H -6.4814483251 0.4596177355 -0.6576973199 H -5.9871138220 -0.0896974734 1.7683597709 H -4.6224514666 1.0255704066 1.7546423685 H -4.3891411120 -0.6511281114 2.2535356593 H 2.3949706875 2.5626118519 -0.4786277136 H -0.9272342173 2.1117603380 -0.0831208485 H -0.5890858557 -2.0536713661 -1.0272171435 H 5.3360746996 2.1184269230 0.2322886338 H 4.5133547224 3.6767084147 0.1315225170 H 4.0411098340 2.5209426994 1.3736699759 H 4.7080106825 1.6285701393 -2.2482177494 H 3.8921559961 3.1889587074 -2.3417902356 H 3.0042333399 1.7175980363 -2.7277572473 H 2.3008719679 -1.9527405790 -1.4584118928 H 3.7749401185 -2.1805170570 -0.5100524537 H 1.2030488801 -3.8315083795 -0.2329419320 H 2.7014410569 -4.3516657035 -1.0023094227 H 2.6692357789 -4.0619393291 0.7350576511 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/octanol/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction Tebupirimfos CONF469 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/octanol/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Tebupirimfos CONF469 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/octanol/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Tebupirimfos CONF469 octanol 0 1